3-methanimidoyl-4-(2-methyl-3-pyridinyl)pyridin-2-amine

C12H12N4 — CID 143517698

IUPAC3-methanimidoyl-4-(2-methyl-3-pyridinyl)pyridin-2-amine
SMILES[H]/N=C/c1c(-c2cccnc2C)ccnc1N
InChIInChI=1S/C12H12N4/c1-8-9(3-2-5-15-8)10-4-6-16-12(14)11(10)7-13/h2-7,13H,1H3,(H2,14,16)/b13-7+
InChIKeyZBKWBWRDAWXAIZ-NTUHNPAUSA-N
MW212.26 g/mol
LogP2.03
Rot. Bonds2

About 3-methanimidoyl-4-(2-methyl-3-pyridinyl)pyridin-2-amine

3-methanimidoyl-4-(2-methyl-3-pyridinyl)pyridin-2-amine (PubChem CID 143517698) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 3-methanimidoyl-4-(2-methyl-3-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name3-methanimidoyl-4-(2-methyl-3-pyridinyl)pyridin-2-amine
PubChem CID143517698
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name3-methanimidoyl-4-(2-methyl-3-pyridinyl)pyridin-2-amine
SMILES[H]/N=C/c1c(-c2cccnc2C)ccnc1N
InChIInChI=1S/C12H12N4/c1-8-9(3-2-5-15-8)10-4-6-16-12(14)11(10)7-13/h2-7,13H,1H3,(H2,14,16)/b13-7+
InChIKeyZBKWBWRDAWXAIZ-NTUHNPAUSA-N
XLogP2.03
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-methanimidoyl-4-(2-methyl-3-pyridinyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methanimidoyl-4-(2-methyl-3-pyridinyl)pyridin-2-amine?
The IUPAC name of 3-methanimidoyl-4-(2-methyl-3-pyridinyl)pyridin-2-amine (CID 143517698) is 3-methanimidoyl-4-(2-methyl-3-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 3-methanimidoyl-4-(2-methyl-3-pyridinyl)pyridin-2-amine?
The canonical SMILES for 3-methanimidoyl-4-(2-methyl-3-pyridinyl)pyridin-2-amine is [H]/N=C/c1c(-c2cccnc2C)ccnc1N.
What is the InChIKey of 3-methanimidoyl-4-(2-methyl-3-pyridinyl)pyridin-2-amine?
The InChIKey is ZBKWBWRDAWXAIZ-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H12N4/c1-8-9(3-2-5-15-8)10-4-6-16-12(14)11(10)7-13/h2-7,13H,1H3,(H2,14,16)/b13-7+.
What are the key properties of 3-methanimidoyl-4-(2-methyl-3-pyridinyl)pyridin-2-amine?
3-methanimidoyl-4-(2-methyl-3-pyridinyl)pyridin-2-amine has a molecular weight of 212.26 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methanimidoyl-4-(2-methyl-3-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 143517698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).